AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Mitogen-activated protein kinase 8

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P45983

UPID:

MK08_HUMAN

Alternative names:

JNK-46; Stress-activated protein kinase 1c; Stress-activated protein kinase JNK1; c-Jun N-terminal kinase 1

Alternative UPACC:

P45983; B5BTZ5; B7ZLV4; D3DX88; D3DX92; Q15709; Q15712; Q15713; Q308M2

Background:

Mitogen-activated protein kinase 8 (MAPK8), also known as c-Jun N-terminal kinase 1 (JNK1), plays a pivotal role in cell processes including proliferation, differentiation, and apoptosis. It is activated by various stimuli, leading to the phosphorylation of numerous transcription factors and regulatory proteins. JNK1's involvement in the SAP/JNK signaling pathway and its impact on transcriptional activity highlight its significance in cellular responses to stress.

Therapeutic significance:

Understanding the role of Mitogen-activated protein kinase 8 could open doors to potential therapeutic strategies. Its critical function in cell survival, apoptosis, and response to stress makes it a compelling target for drug discovery efforts aimed at treating diseases with underlying cellular dysregulation.

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